5-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-1-naphthamide Formula: C21H17BrClN3O2S MolecularWeight: 490.80058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C21H17BrClN3O2S/c1-2-19(27)24-12-9-10-17(23)18(11-12)25-21(29)26-20(28)15-7-3-6-14-13(15)5-4-8-16(14)22/h3-11H,2H2,1H3,(H,24,27)(H2,25,26,28,29)